SCHEMBL7550426

SCHEMBL7550426

CCN(c1c(C(=O)CC(=O)C2CC2)ccc(SC)c1Cl)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 3/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7554595 0.87 ALDH1A1 (0.33) ALDH1A1USP2NPSR1KMT2ALMNA
SCHEMBL7554929 0.81 TSHR (0.40) ALDH1A1TSHRKMT2AGAAMAPT
SCHEMBL7554624 0.81 GRM5 (0.37) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL7553433 0.81 ALDH1A1 (0.37) ALDH1A1USP2NPSR1KMT2ALMNA
SCHEMBL7551946 0.78 KMT2A (0.32) USP2NPSR1TSHRKMT2ALMNA
SCHEMBL7554604 0.78 LMNA (0.35) ALDH1A1NPSR1KMT2ALMNAGAA
SCHEMBL9073271 0.77 MAPT (0.35) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL7558086 0.77
SCHEMBL7558079 0.77
SCHEMBL7553893 0.77 CA1 (0.41) ALDH1A1NPSR1TSHRKMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed